(4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one

C26H25NO3 — CID 134841813

IUPAC(4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N1[C@@H]1C[C@@H]1COCc1ccccc1
InChIInChI=1S/C26H25NO3/c28-26-27(23-16-22(23)18-29-17-19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)25(30-26)21-14-8-3-9-15-21/h1-15,22-25H,16-18H2/t22-,23-,24+,25-/m1/s1
InChIKeyQOYYBZFNQWPGGL-ZKGSSEMHSA-N
MW399.49 g/mol
LogP5.53
Rot. Bonds7

About (4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one

(4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one (PubChem CID 134841813) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is (4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one
PubChem CID134841813
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name(4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N1[C@@H]1C[C@@H]1COCc1ccccc1
InChIInChI=1S/C26H25NO3/c28-26-27(23-16-22(23)18-29-17-19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)25(30-26)21-14-8-3-9-15-21/h1-15,22-25H,16-18H2/t22-,23-,24+,25-/m1/s1
InChIKeyQOYYBZFNQWPGGL-ZKGSSEMHSA-N
XLogP5.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

[1-((3S,4S)-1-Benzyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester
CID 490012
(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
CID 69081973
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981233
(2R,3S)-(-)-N-Z-6-oxo-2,3-diphenylmorpholine
CID 981238
Benzyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 3902786
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374
3-(1-Benzyl-piperidin-4-yl)-5,5-diphenyl-oxazolidin-2-one
CID 16124710
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one (CID 134841813) is (4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one is O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N1[C@@H]1C[C@@H]1COCc1ccccc1.
What is the InChIKey of (4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one?
The InChIKey is QOYYBZFNQWPGGL-ZKGSSEMHSA-N. The full InChI is InChI=1S/C26H25NO3/c28-26-27(23-16-22(23)18-29-17-19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)25(30-26)21-14-8-3-9-15-21/h1-15,22-25H,16-18H2/t22-,23-,24+,25-/m1/s1.
What are the key properties of (4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one?
(4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one has a molecular weight of 399.49 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-diphenyl-3-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134841813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).